CID 3021899

5-methyl-4-(2',6'-dimethylbenzyl)imidazole

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=C(C(=CC=C1)C)CC2=C(NC=N2)C
InChI
InChI=1S/C13H16N2/c1-9-5-4-6-10(2)12(9)7-13-11(3)14-8-15-13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKey
FQOYSVIMWGYYJB-UHFFFAOYSA-N
Compound name
4-[(2,6-dimethylphenyl)methyl]-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.5
[M+Na]+ 223.12057 155.1
[M-H]- 199.12407 148.9
[M+NH4]+ 218.16517 163.9
[M+K]+ 239.09451 150.4
[M+H-H2O]+ 183.12861 138.0
[M+HCOO]- 245.12955 167.0
[M+CH3COO]- 259.14520 185.1
[M+Na-2H]- 221.10602 149.0
[M]+ 200.13080 145.5
[M]- 200.13190 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe